1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide

C21H20FN3OS — CID 110628959

IUPAC1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)C1CCCN1Cc1ccccc1F
InChIInChI=1S/C21H20FN3OS/c22-18-5-2-1-4-16(18)14-25-12-3-6-19(25)20(26)24-17-9-7-15(8-10-17)21-23-11-13-27-21/h1-2,4-5,7-11,13,19H,3,6,12,14H2,(H,24,26)
InChIKeyAOZMBVMRUOQINO-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.55
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide

1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 110628959) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID110628959
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)C1CCCN1Cc1ccccc1F
InChIInChI=1S/C21H20FN3OS/c22-18-5-2-1-4-16(18)14-25-12-3-6-19(25)20(26)24-17-9-7-15(8-10-17)21-23-11-13-27-21/h1-2,4-5,7-11,13,19H,3,6,12,14H2,(H,24,26)
InChIKeyAOZMBVMRUOQINO-UHFFFAOYSA-N
XLogP4.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ALP-POS-02c6a514-49
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2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
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(3S)-1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
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1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide
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N-[4-(1,3-thiazol-4-yl)phenyl]-1-[(3,4,5-trifluorophenyl)methyl]piperidine-3-carboxamide
CID 162658119
N-(4-{2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl}phenyl)acetamide
CID 122243076
(2S,4R)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide (CID 110628959) is 1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)C1CCCN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is AOZMBVMRUOQINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c22-18-5-2-1-4-16(18)14-25-12-3-6-19(25)20(26)24-17-9-7-15(8-10-17)21-23-11-13-27-21/h1-2,4-5,7-11,13,19H,3,6,12,14H2,(H,24,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110628959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).